SCHEMBL5487137

SCHEMBL5487137

NC(=O)Cn1cncc(N)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.40
RXFP1 Q9HBX9 1/20 0.39
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TBXAS1 P24557 1/20 0.31
TSHR P16473 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23474280 0.80 PLK1 (0.40) TRPA1RAB9AALDH1A1TDP1TBXAS1
SCHEMBL20962575 0.76 LMNA (0.38) RAB9ALMNA
SCHEMBL20962568 0.76 GABRA5 (0.37) RAB9AALDH1A1TSHR
Hydrochloric Acid SCHEMBL20945083 0.75 LMNA (0.37) RAB9ALMNA
Hydrochloric Acid SCHEMBL20945148 0.74 GABRA5 (0.36) RAB9AALDH1A1TSHR
SCHEMBL1178676 0.74 CYP19A1 (0.39) TRPA1
SCHEMBL23474414 0.73
SCHEMBL20962589 0.73 SMN1; SMN2 (0.39) RAB9ALMNAALDH1A1TSHR
SCHEMBL27760418 0.73 ALDH1A1 (0.38) TRPA1RXFP1LMNACYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL20945236 0.71 SMN1; SMN2 (0.38) RAB9ALMNAALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
EP-1526131-A1 Aminoalkyl-pyrazinones and -pyridones as thrombin inhibitors Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2005-04-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 TRPA1 1669/4885RXFP1 763/4885RAB9A 3094/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.